#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qao n ARG 2 N 0.00 -0.41 -1.33 3.17 0.63 -1.26 -4.86 116.66 112.60 2qao n ARG 2 Ca 0.00 0.10 -0.54 0.00 -0.92 0.00 0.00 57.85 56.49 2qao n ARG 2 Cb 0.00 -4.24 -0.13 0.00 0.45 0.00 0.00 32.46 28.55 2qao n ARG 2 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2qao n HIS 3 N -2.05 1.01 -1.08 -0.14 8.25 -1.26 0.56 115.22 120.52 2qao n HIS 3 Ca 0.00 0.63 -0.03 0.00 -0.26 0.00 0.00 57.72 58.06 2qao n HIS 3 Cb 0.10 -2.33 -0.01 0.00 1.12 0.00 0.00 29.99 28.87 2qao n HIS 3 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2qao n ARG 4 N 7.83 -0.35 -3.21 -0.41 5.12 -1.26 -5.02 116.66 119.36 2qao n ARG 4 Ca 0.57 0.45 -0.39 0.00 -1.93 0.00 0.00 57.85 56.55 2qao n ARG 4 Cb -0.00 -3.99 -0.06 0.00 -1.16 0.00 0.00 32.46 27.24 2qao n ARG 4 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2qao s LYS 5 N -1.63 4.26 0.30 5.56 1.02 0.19 -5.07 119.74 124.37 2qao s LYS 5 Ca 0.00 0.52 0.01 0.00 0.02 0.00 0.00 55.97 56.52 2qao s LYS 5 Cb 0.00 -3.53 -0.03 0.00 -0.52 0.00 0.00 37.83 33.75 2qao s LYS 5 CO 0.00 -0.08 0.49 0.45 -0.92 0.00 0.00 175.35 175.29 2qao s SER 6 N 1.00 6.32 0.00 2.83 0.15 -1.26 -5.01 113.70 117.74 2qao s SER 6 Ca 0.27 0.40 0.00 0.00 0.70 0.00 0.00 55.95 57.32 2qao s SER 6 Cb -0.16 -2.01 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 2qao s SER 6 CO 0.11 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.94 2qao n GLY 7 N -1.51 2.18 3.56 9.45 0.00 -1.26 -5.06 105.19 112.56 2qao n GLY 7 Ca -0.05 -1.57 -0.34 0.00 0.00 0.00 0.00 46.02 44.06 2qao n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qao s ARG 8 N -4.97 3.06 0.00 1.61 3.52 -1.26 -5.01 118.95 115.89 2qao s ARG 8 Ca 0.00 -0.53 0.23 0.00 -0.13 0.00 0.00 55.73 55.30 2qao s ARG 8 Cb 0.00 -2.70 0.48 0.00 -1.56 0.00 0.00 34.95 31.16 2qao s ARG 8 CO 0.00 0.53 1.43 0.00 -0.81 0.00 0.00 175.30 176.45 2qao n GLN 9 N 2.63 2.56 0.00 5.12 10.64 -1.26 -4.98 117.38 132.09 2qao n GLN 9 Ca -0.18 -2.38 0.00 0.00 -1.83 0.00 0.00 57.00 52.61 2qao n GLN 9 Cb 0.53 -1.52 0.00 0.00 -0.86 0.00 0.00 30.24 28.38 2qao n GLN 9 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2qao n LEU 10 N 1.52 0.00 0.00 2.61 7.99 -1.26 -3.17 117.00 124.69 2qao n LEU 10 Ca 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.20 2qao n LEU 10 Cb 0.61 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.92 2qao n LEU 10 CO 0.16 0.00 0.00 0.59 -1.51 0.00 0.00 177.39 176.63 2qao n ASN 11 N 1.04 0.00 0.00 -1.43 5.03 -1.26 -5.18 115.26 113.47 2qao n ASN 11 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 2qao n ASN 11 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 2qao n ASN 11 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 2qao n ARG 12 N 0.00 0.00 -0.89 3.52 3.00 -1.19 -5.12 116.66 115.98 2qao n ARG 12 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.50 2qao n ARG 12 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 32.46 32.54 2qao n ARG 12 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2qao n ASN 13 N 0.00 -3.91 -0.06 6.15 0.23 -1.26 -4.74 115.26 111.67 2qao n ASN 13 Ca 0.00 0.21 0.00 0.00 -0.53 0.00 0.00 54.58 54.26 2qao n ASN 13 Cb 0.00 -0.95 0.00 0.00 -2.08 0.00 0.00 39.78 36.75 2qao n ASN 13 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2qao n SER 14 N 1.08 0.07 -0.13 0.53 2.88 -1.26 -2.29 113.62 114.49 2qao n SER 14 Ca 0.02 -1.12 -0.27 0.00 -1.33 0.00 0.00 58.87 56.16 2qao n SER 14 Cb 0.57 -0.03 -0.11 0.00 -0.75 0.00 0.00 64.21 63.89 2qao n SER 14 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2qao n SER 15 N -0.41 1.96 -0.02 -3.46 2.88 -1.26 -4.47 113.62 108.84 2qao n SER 15 Ca 0.00 0.26 -0.10 0.00 -1.33 0.00 0.00 58.87 57.71 2qao n SER 15 Cb 0.02 -0.77 -0.04 0.00 -0.75 0.00 0.00 64.21 62.67 2qao n SER 15 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 2qao h HIS 16 N -0.81 -0.01 0.00 0.66 2.76 -1.77 -2.40 115.15 113.58 2qao h HIS 16 Ca -0.65 0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 57.41 2qao h HIS 16 Cb 1.65 0.03 -0.05 0.00 1.55 0.00 0.00 27.41 30.59 2qao h HIS 16 CO -0.05 -0.02 -0.09 0.54 -1.30 0.00 0.00 177.93 177.01 2qao n ARG 17 N -5.12 1.31 0.00 5.26 1.74 -1.19 -0.42 116.66 118.24 2qao n ARG 17 Ca -0.04 -0.65 0.00 0.00 -0.77 0.00 0.00 57.85 56.39 2qao n ARG 17 Cb 0.08 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 29.70 2qao n ARG 17 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2qao n GLN 18 N 2.65 0.06 0.00 5.56 1.13 -0.91 -4.89 117.38 120.99 2qao n GLN 18 Ca 0.28 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.34 2qao n GLN 18 Cb 0.60 -0.01 0.00 0.00 0.11 0.00 0.00 30.24 30.95 2qao n GLN 18 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2qao n ALA 19 N 0.00 2.86 0.72 -1.58 0.00 0.44 -3.85 120.51 119.11 2qao n ALA 19 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 2qao n ALA 19 Cb 0.00 0.40 0.35 0.00 0.00 0.00 0.00 19.45 20.21 2qao n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qao n MET 20 N -2.82 0.33 -0.03 0.00 0.00 -0.43 0.67 117.12 114.84 2qao n MET 20 Ca 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 57.70 57.72 2qao n MET 20 Cb 0.40 -1.50 -0.05 0.00 0.00 0.00 0.00 33.22 32.08 2qao n MET 20 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 2qao n PHE 21 N -1.09 0.00 0.04 3.17 3.72 -1.26 -4.14 117.46 117.90 2qao n PHE 21 Ca 0.08 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.29 2qao n PHE 21 Cb 0.06 -0.29 -0.11 0.00 -0.94 0.00 0.00 39.48 38.19 2qao n PHE 21 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 2qao h ARG 22 N 0.00 0.55 0.00 -1.08 2.43 -1.24 0.13 114.38 115.17 2qao h ARG 22 Ca -0.16 -0.64 -0.03 0.00 -0.81 0.00 0.00 59.98 58.34 2qao h ARG 22 Cb 1.35 0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 31.09 2qao h ARG 22 CO 0.00 1.25 -0.15 -0.91 -1.51 0.00 0.00 179.97 178.65 2qao h ASN 23 N 0.13 0.00 0.00 -3.80 2.35 -0.02 -2.26 115.58 111.98 2qao h ASN 23 Ca -0.12 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.59 2qao h ASN 23 Cb 1.59 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.96 2qao h ASN 23 CO 0.18 0.15 -0.27 -0.03 -1.65 0.00 0.00 177.43 175.80 2qao h MET 24 N 0.00 0.00 -0.29 0.81 4.05 -1.70 -2.40 114.93 115.40 2qao h MET 24 Ca -0.00 0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.48 2qao h MET 24 Cb 0.71 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.44 2qao h MET 24 CO 0.02 0.65 -0.17 0.00 0.23 0.00 0.00 176.91 177.64 2qao h ALA 25 N -0.44 0.04 -0.53 0.39 0.00 -0.75 0.58 119.26 118.56 2qao h ALA 25 Ca -0.06 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2qao h ALA 25 Cb 0.75 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2qao h ALA 25 CO -0.04 -0.57 0.29 0.78 0.00 0.00 0.00 179.25 179.72 2qao h GLY 26 N -0.14 0.77 2.00 0.00 0.00 -1.56 0.83 103.07 104.97 2qao h GLY 26 Ca 0.15 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.12 2qao h GLY 26 CO -0.37 0.31 -0.18 0.23 0.00 0.00 0.00 176.54 176.53 2qao h SER 27 N 0.73 0.00 0.02 0.19 0.87 -0.19 -2.88 113.55 112.28 2qao h SER 27 Ca 0.19 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 2qao h SER 27 Cb 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 2qao h SER 27 CO -0.03 0.18 -0.12 0.25 -0.53 0.00 0.00 176.83 176.58 2qao h LEU 28 N 0.00 0.07 -1.88 2.23 7.12 0.22 -3.21 115.31 119.87 2qao h LEU 28 Ca -0.00 -0.96 0.09 0.00 0.13 0.00 0.00 57.88 57.13 2qao h LEU 28 Cb 0.59 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.68 2qao h LEU 28 CO 0.02 1.03 0.47 0.58 -0.13 0.00 0.00 178.44 180.41 2qao h VAL 29 N -0.87 0.23 0.00 1.05 2.07 -0.86 0.39 116.25 118.26 2qao h VAL 29 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2qao h VAL 29 Cb 1.07 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2qao h VAL 29 CO 0.02 0.00 0.00 0.54 0.02 0.00 0.00 177.57 178.15 2qao n ARG 30 N -3.39 0.00 0.10 1.57 1.74 -1.10 -4.47 116.66 111.11 2qao n ARG 30 Ca 0.05 0.03 0.12 0.00 -0.77 0.00 0.00 57.85 57.28 2qao n ARG 30 Cb 0.60 -0.57 0.45 0.00 -1.02 0.00 0.00 32.46 31.93 2qao n ARG 30 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2qao n HIS 31 N -0.58 0.70 -0.92 -1.55 8.25 -1.20 -4.89 115.22 115.03 2qao n HIS 31 Ca 0.00 0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.70 2qao n HIS 31 Cb 0.00 -0.90 0.00 0.00 1.12 0.00 0.00 29.99 30.21 2qao n HIS 31 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2qao n GLU 32 N -2.11 -1.19 -3.73 -0.41 1.02 0.14 -4.93 120.64 109.43 2qao n GLU 32 Ca 0.04 0.30 -0.13 0.00 -0.02 0.00 0.00 57.16 57.34 2qao n GLU 32 Cb 0.30 -4.40 -0.10 0.00 -0.02 0.00 0.00 31.44 27.23 2qao n GLU 32 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2qao s ILE 33 N -1.35 0.01 -0.08 -3.67 -5.25 -1.25 -1.39 121.20 108.21 2qao s ILE 33 Ca 0.00 -0.11 -0.19 0.00 -0.99 0.00 0.00 60.65 59.37 2qao s ILE 33 Cb 0.00 -0.59 0.04 0.00 2.95 0.00 0.00 42.46 44.86 2qao s ILE 33 CO 0.00 -0.06 0.44 -0.63 -1.79 0.00 0.00 174.94 172.90 2qao s ILE 34 N -0.19 0.02 -0.84 8.37 1.01 0.19 -4.91 121.20 124.85 2qao s ILE 34 Ca -0.04 -0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.43 2qao s ILE 34 Cb -0.03 -0.70 0.30 0.00 0.01 0.00 0.00 42.46 42.03 2qao s ILE 34 CO 0.02 -0.11 1.23 2.29 0.00 0.00 0.00 174.94 178.37 2qao n LYS 35 N 1.79 3.86 -0.87 2.79 -0.00 -1.26 -1.47 118.16 123.00 2qao n LYS 35 Ca -0.18 -4.68 -0.03 0.00 -0.00 0.00 0.00 58.31 53.42 2qao n LYS 35 Cb 0.56 -2.37 0.01 0.00 -0.00 0.00 0.00 35.03 33.24 2qao n LYS 35 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 2qao n THR 36 N 0.56 0.00 -2.68 0.58 5.66 -1.25 -4.63 114.28 112.52 2qao n THR 36 Ca 0.33 -0.18 -0.40 0.00 -3.05 0.00 0.00 64.05 60.75 2qao n THR 36 Cb 0.35 -1.30 -0.06 0.00 -1.55 0.00 0.00 70.33 67.78 2qao n THR 36 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2qao s THR 37 N -0.07 3.93 0.16 1.09 2.01 -1.26 0.12 115.64 121.61 2qao s THR 37 Ca 0.07 1.94 -0.29 0.00 0.31 0.00 0.00 61.69 63.72 2qao s THR 37 Cb -0.00 -4.23 -0.02 0.00 0.01 0.00 0.00 72.50 68.25 2qao s THR 37 CO 0.05 0.46 1.55 0.25 -0.69 0.00 0.00 174.62 176.24 2qao h LEU 38 N 4.10 -1.87 -0.52 4.42 5.85 -1.27 0.73 115.31 126.74 2qao h LEU 38 Ca -0.45 0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 2qao h LEU 38 Cb 1.20 0.83 -0.02 0.00 0.37 0.00 0.00 40.66 43.04 2qao h LEU 38 CO 0.68 -0.30 0.28 -0.65 -0.34 0.00 0.00 178.44 178.11 2qao h PRO 39 N -0.14 0.74 0.00 5.25 0.11 -1.93 0.08 132.00 136.10 2qao h PRO 39 Ca 0.17 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.19 2qao h PRO 39 Cb 0.51 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.48 2qao h PRO 39 CO -0.81 0.58 0.00 1.63 -0.21 0.00 0.00 178.00 179.18 2qao n LYS 40 N -4.63 0.14 0.01 1.05 5.02 0.08 -2.08 118.16 117.75 2qao n LYS 40 Ca 0.03 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.29 2qao n LYS 40 Cb 0.09 -1.31 -0.01 0.00 -0.02 0.00 0.00 35.03 33.78 2qao n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qao n ALA 41 N -0.81 2.67 0.30 7.82 0.00 -0.19 -3.88 120.51 126.41 2qao n ALA 41 Ca 0.02 -0.16 0.11 0.00 0.00 0.00 0.00 53.44 53.42 2qao n ALA 41 Cb 0.01 0.30 0.61 0.00 0.00 0.00 0.00 19.45 20.36 2qao n ALA 41 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2qao h LYS 42 N -0.17 0.00 0.00 0.00 1.57 -0.80 0.65 116.57 117.82 2qao h LYS 42 Ca -0.04 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 2qao h LYS 42 Cb 0.52 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 2qao h LYS 42 CO -0.03 0.00 -0.94 0.39 -0.57 0.00 0.00 179.45 178.31 2qao n GLU 43 N -2.67 0.51 -0.04 3.15 -0.58 -0.88 -3.96 120.64 116.17 2qao n GLU 43 Ca -0.01 0.52 0.24 0.00 -0.42 0.00 0.00 57.16 57.49 2qao n GLU 43 Cb 0.47 -1.70 0.66 0.00 -0.57 0.00 0.00 31.44 30.30 2qao n GLU 43 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2qao h LEU 44 N -1.00 0.00 -0.03 -4.62 5.85 -0.84 -1.19 115.31 113.49 2qao h LEU 44 Ca -0.18 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.56 2qao h LEU 44 Cb 0.91 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.91 2qao h LEU 44 CO -0.11 0.00 -0.30 -0.09 -0.34 0.00 0.00 178.44 177.60 2qao h ARG 45 N 0.00 -0.34 -2.32 1.25 2.43 0.02 -2.01 114.38 113.41 2qao h ARG 45 Ca 0.32 0.02 -0.32 0.00 -0.81 0.00 0.00 59.98 59.19 2qao h ARG 45 Cb 1.74 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 31.33 2qao h ARG 45 CO -0.00 -0.23 0.87 2.89 -1.51 0.00 0.00 179.97 181.99 2qao n ARG 46 N -4.14 2.45 0.00 0.20 1.85 -0.45 -2.95 116.66 113.63 2qao n ARG 46 Ca -0.04 -1.33 0.00 0.00 -1.00 0.00 0.00 57.85 55.48 2qao n ARG 46 Cb 0.21 -2.22 0.00 0.00 -1.05 0.00 0.00 32.46 29.40 2qao n ARG 46 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2qao n VAL 47 N 2.84 0.00 -0.12 8.89 0.31 -0.77 -4.84 118.33 124.65 2qao n VAL 47 Ca 0.52 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.61 2qao n VAL 47 Cb 0.70 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.53 2qao n VAL 47 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2qao n VAL 48 N -1.29 1.53 -0.29 2.52 0.31 -1.15 -3.71 118.33 116.25 2qao n VAL 48 Ca 0.00 -0.17 0.12 0.00 -0.01 0.00 0.00 64.34 64.28 2qao n VAL 48 Cb 0.00 -1.99 0.28 0.00 -0.91 0.00 0.00 33.84 31.22 2qao n VAL 48 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2qao h GLU 49 N -1.00 0.24 -0.75 5.55 5.08 -1.82 1.12 114.58 122.99 2qao h GLU 49 Ca -0.48 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.84 2qao h GLU 49 Cb 1.41 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.57 2qao h GLU 49 CO -0.29 0.16 0.40 -1.35 -1.00 0.00 0.00 179.01 176.92 2qao h PRO 50 N 0.25 1.06 -0.52 2.33 0.11 -1.82 0.28 132.00 133.69 2qao h PRO 50 Ca 0.54 -0.13 -0.05 0.00 0.11 0.00 0.00 66.00 66.47 2qao h PRO 50 Cb 1.07 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.95 2qao h PRO 50 CO -0.62 0.80 0.14 1.25 -0.21 0.00 0.00 178.00 179.36 2qao h LEU 51 N 1.05 0.78 -0.34 2.35 5.85 0.61 0.11 115.31 125.72 2qao h LEU 51 Ca 0.26 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2qao h LEU 51 Cb 0.06 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 2qao h LEU 51 CO -0.04 0.79 0.16 0.40 -0.34 0.00 0.00 178.44 179.41 2qao h ILE 52 N 0.72 1.16 -0.32 4.05 2.04 0.14 0.62 117.51 125.92 2qao h ILE 52 Ca 0.17 -0.47 0.05 0.00 1.00 0.00 0.00 64.86 65.61 2qao h ILE 52 Cb 0.31 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 2qao h ILE 52 CO -0.00 0.17 0.02 0.74 0.00 0.00 0.00 178.15 179.08 2qao h THR 53 N 0.40 0.79 0.00 -0.27 2.02 -0.17 0.68 112.91 116.36 2qao h THR 53 Ca 0.11 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 2qao h THR 53 Cb 0.12 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 2qao h THR 53 CO -0.01 0.02 -0.04 0.25 0.37 0.00 0.00 175.52 176.10 2qao h LEU 54 N 0.12 0.00 -0.44 2.58 5.85 -0.14 -1.00 115.31 122.28 2qao h LEU 54 Ca 0.16 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 2qao h LEU 54 Cb 0.20 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2qao h LEU 54 CO -0.24 0.04 -0.23 0.00 -0.34 0.00 0.00 178.44 177.67 2qao h ALA 55 N 1.96 0.89 -0.99 1.25 0.00 0.61 -3.26 119.26 119.72 2qao h ALA 55 Ca -0.00 -0.21 0.19 0.00 0.00 0.00 0.00 54.91 54.88 2qao h ALA 55 Cb 0.17 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.83 2qao h ALA 55 CO 0.01 0.29 0.61 0.87 0.00 0.00 0.00 179.25 181.03 2qao h LYS 56 N 0.00 0.71 -5.92 0.00 1.57 0.32 -3.34 116.57 109.91 2qao h LYS 56 Ca -0.00 -0.04 -0.67 0.00 -1.87 0.00 0.00 60.65 58.06 2qao h LYS 56 Cb 1.02 -0.16 -0.12 0.00 0.08 0.00 0.00 32.23 33.04 2qao h LYS 56 CO 0.03 0.47 -0.59 0.99 -0.57 0.00 0.00 179.45 179.78 2qao s THR 57 N -5.79 4.61 0.00 -0.16 2.01 -1.23 -4.87 115.64 110.21 2qao s THR 57 Ca -0.11 -0.20 0.00 0.00 0.31 0.00 0.00 61.69 61.70 2qao s THR 57 Cb 0.24 -2.99 0.00 0.00 0.01 0.00 0.00 72.50 69.76 2qao s THR 57 CO 0.80 0.56 0.00 -0.67 -0.69 0.00 0.00 174.62 174.62 2qao n ASP 58 N 1.92 0.00 0.00 3.53 4.64 -1.26 -4.87 116.55 120.50 2qao n ASP 58 Ca -0.18 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.23 2qao n ASP 58 Cb 0.54 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.62 2qao n ASP 58 CO 0.00 0.00 0.00 -0.24 -0.82 0.00 0.00 177.20 176.14 2qao n SER 59 N 0.00 -1.48 -0.27 1.67 2.88 -1.26 -4.09 113.62 111.06 2qao n SER 59 Ca 0.00 0.00 0.32 0.00 -1.33 0.00 0.00 58.87 57.86 2qao n SER 59 Cb 0.00 0.80 0.72 0.00 -0.75 0.00 0.00 64.21 64.98 2qao n SER 59 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2qao h VAL 60 N 0.00 0.47 0.00 2.46 2.07 -1.97 -2.12 116.25 117.15 2qao h VAL 60 Ca 0.00 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2qao h VAL 60 Cb 0.00 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2qao h VAL 60 CO 0.00 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.60 2qao n ALA 61 N -2.73 0.00 -0.77 1.67 0.00 -1.26 -1.19 120.51 116.23 2qao n ALA 61 Ca 0.23 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.48 2qao n ALA 61 Cb 1.12 0.02 -0.05 0.00 0.00 0.00 0.00 19.45 20.54 2qao n ALA 61 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qao n ASN 62 N -0.53 4.83 0.03 0.00 3.02 -0.84 -2.91 115.26 118.86 2qao n ASN 62 Ca 0.00 -2.28 0.00 0.00 -0.03 0.00 0.00 54.58 52.27 2qao n ASN 62 Cb 0.00 -1.08 0.00 0.00 -0.61 0.00 0.00 39.78 38.09 2qao n ASN 62 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2qao n ARG 63 N 3.63 0.00 -0.36 3.52 3.00 -0.95 -4.58 116.66 120.92 2qao n ARG 63 Ca 0.43 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 58.33 2qao n ARG 63 Cb 0.29 0.00 0.22 0.00 0.00 0.00 0.00 32.46 32.97 2qao n ARG 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2qao h ARG 64 N 0.00 1.03 -0.60 -0.14 3.08 -1.02 0.56 114.38 117.29 2qao h ARG 64 Ca 0.00 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 2qao h ARG 64 Cb 0.00 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 29.79 2qao h ARG 64 CO 0.00 0.68 0.16 1.25 -1.07 0.00 0.00 179.97 180.99 2qao h LEU 65 N 1.06 0.86 -1.44 3.04 5.85 -1.77 0.25 115.31 123.16 2qao h LEU 65 Ca 0.47 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 59.01 2qao h LEU 65 Cb 0.36 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 2qao h LEU 65 CO -0.22 0.83 -0.10 0.00 -0.34 0.00 0.00 178.44 178.61 2qao h ALA 66 N 1.29 1.04 0.01 1.25 0.00 -0.50 -1.76 119.26 120.58 2qao h ALA 66 Ca 0.19 -0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.79 2qao h ALA 66 Cb 0.30 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2qao h ALA 66 CO -0.00 0.12 -1.10 0.35 0.00 0.00 0.00 179.25 178.62 2qao h PHE 67 N 0.00 0.04 0.00 0.00 3.57 0.24 -3.33 116.94 117.45 2qao h PHE 67 Ca -0.00 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2qao h PHE 67 Cb 0.56 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.30 2qao h PHE 67 CO 0.00 1.02 -0.00 0.00 -2.23 0.00 0.00 178.31 177.10 2qao h ALA 68 N 0.97 -0.56 -2.62 2.41 0.00 0.29 -3.33 119.26 116.43 2qao h ALA 68 Ca -0.05 -0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.36 2qao h ALA 68 Cb 1.81 0.45 0.07 0.00 0.00 0.00 0.00 17.79 20.12 2qao h ALA 68 CO 0.13 -0.56 0.44 -0.98 0.00 0.00 0.00 179.25 178.29 2qao s ARG 69 N -3.02 3.45 -0.32 0.00 3.03 -1.19 -4.07 118.95 116.83 2qao s ARG 69 Ca -0.00 1.65 -0.11 0.00 2.03 0.00 0.00 55.73 59.30 2qao s ARG 69 Cb 0.00 -2.10 0.01 0.00 -1.03 0.00 0.00 34.95 31.84 2qao s ARG 69 CO 0.00 -0.78 0.29 0.25 -1.13 0.00 0.00 175.30 173.93 2qao n THR 70 N -1.11 -9.06 0.24 4.99 -2.24 -1.26 -4.75 114.28 101.09 2qao n THR 70 Ca 0.11 1.09 0.02 0.00 -2.27 0.00 0.00 64.05 63.00 2qao n THR 70 Cb 0.50 -5.98 0.12 0.00 -2.10 0.00 0.00 70.33 62.87 2qao n THR 70 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2qao n ARG 71 N 0.35 0.11 -2.23 -0.78 3.00 -1.25 -4.51 116.66 111.35 2qao n ARG 71 Ca 0.03 0.09 -0.32 0.00 -0.00 0.00 0.00 57.85 57.64 2qao n ARG 71 Cb 0.32 -1.50 -0.04 0.00 0.00 0.00 0.00 32.46 31.24 2qao n ARG 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2qao s ASP 72 N -2.20 5.61 0.00 6.15 3.68 -1.26 -4.75 116.67 123.89 2qao s ASP 72 Ca 0.05 -0.85 0.06 0.00 2.13 0.00 0.00 52.55 53.95 2qao s ASP 72 Cb 0.03 -2.56 0.38 0.00 -1.45 0.00 0.00 42.92 39.32 2qao s ASP 72 CO 0.05 -2.30 0.78 -3.20 0.13 0.00 0.00 175.17 170.63 2qao n ASN 73 N 12.14 0.00 -0.09 -0.34 5.15 -1.26 -2.33 115.26 128.53 2qao n ASN 73 Ca 0.35 -0.36 -0.14 0.00 -0.60 0.00 0.00 54.58 53.83 2qao n ASN 73 Cb 0.49 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.68 2qao n ASN 73 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2qao n GLU 74 N -0.85 0.52 0.29 1.20 2.13 -1.26 -4.33 120.64 118.34 2qao n GLU 74 Ca 0.05 0.42 0.17 0.00 0.66 0.00 0.00 57.16 58.46 2qao n GLU 74 Cb 0.02 -1.61 0.90 0.00 0.27 0.00 0.00 31.44 31.01 2qao n GLU 74 CO 0.00 0.00 0.00 -0.84 -0.41 0.00 0.00 177.13 175.88 2qao h ILE 75 N -1.00 0.30 0.00 6.31 3.07 -1.85 0.62 117.51 124.96 2qao h ILE 75 Ca -0.20 -0.30 -0.00 0.00 1.55 0.00 0.00 64.86 65.91 2qao h ILE 75 Cb 0.99 1.22 -0.00 0.00 -0.27 0.00 0.00 36.82 38.76 2qao h ILE 75 CO -0.12 0.05 -0.02 -0.37 -1.05 0.00 0.00 178.15 176.64 2qao h VAL 76 N 0.00 0.40 -0.03 0.16 -1.51 -1.68 0.28 116.25 113.87 2qao h VAL 76 Ca -0.00 -0.09 -0.19 0.00 -1.23 0.00 0.00 66.70 65.19 2qao h VAL 76 Cb 0.22 1.06 0.01 0.00 -2.13 0.00 0.00 31.29 30.45 2qao h VAL 76 CO 0.01 0.02 -0.72 0.00 -1.23 0.00 0.00 177.57 175.64 2qao h ALA 77 N 1.98 0.12 -0.34 5.19 0.00 -1.07 -2.66 119.26 122.49 2qao h ALA 77 Ca -0.00 -0.60 0.10 0.00 0.00 0.00 0.00 54.91 54.41 2qao h ALA 77 Cb 0.06 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2qao h ALA 77 CO 0.00 0.47 0.25 -0.22 0.00 0.00 0.00 179.25 179.76 2qao h LYS 78 N 0.12 0.00 -6.70 0.00 1.63 -0.53 -3.05 116.57 108.03 2qao h LYS 78 Ca -0.08 0.00 -0.48 0.00 -0.85 0.00 0.00 60.65 59.23 2qao h LYS 78 Cb 1.40 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 33.05 2qao h LYS 78 CO 0.14 0.00 -0.05 -0.51 -3.45 0.00 0.00 179.45 175.58 2qao s LEU 79 N -8.74 3.84 0.00 5.20 1.43 -0.03 -1.31 118.68 119.07 2qao s LEU 79 Ca -0.05 0.67 0.00 0.00 -1.03 0.00 0.00 54.13 53.72 2qao s LEU 79 Cb 0.18 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.83 2qao s LEU 79 CO 0.70 -0.42 0.00 0.49 0.23 0.00 0.00 176.35 177.35 2qao n PHE 80 N -1.97 0.00 -0.01 0.29 3.72 -1.25 -4.32 117.46 113.92 2qao n PHE 80 Ca -0.02 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.37 2qao n PHE 80 Cb 0.56 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.09 2qao n PHE 80 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2qao n ASN 81 N 1.03 0.21 0.00 4.37 4.13 -1.15 -4.07 115.26 119.77 2qao n ASN 81 Ca 0.00 0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.35 2qao n ASN 81 Cb 0.00 -0.53 0.00 0.00 -1.54 0.00 0.00 39.78 37.71 2qao n ASN 81 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2qao n GLU 82 N -2.66 0.00 0.00 3.52 4.71 -0.42 -4.11 120.64 121.67 2qao n GLU 82 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 2qao n GLU 82 Cb 0.05 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.48 2qao n GLU 82 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 2qao n LEU 83 N 0.00 0.00 0.00 -4.62 -0.00 -0.48 -2.81 117.00 109.10 2qao n LEU 83 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2qao n LEU 83 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2qao n LEU 83 CO 0.00 0.00 0.20 0.61 -0.00 0.00 0.00 177.39 178.20 2qao n GLY 84 N -0.71 -1.25 0.28 1.47 0.00 -1.25 -3.41 105.19 100.33 2qao n GLY 84 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 2qao n GLY 84 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qao h PRO 85 N 0.00 0.00 -0.33 1.61 0.11 -1.67 -3.15 132.00 128.56 2qao h PRO 85 Ca 0.00 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.17 2qao h PRO 85 Cb 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.03 2qao h PRO 85 CO 0.00 0.04 -0.46 0.00 -0.21 0.00 0.00 178.00 177.37 2qao h ARG 86 N 0.00 -0.38 -0.76 1.05 2.47 -1.61 0.19 114.38 115.34 2qao h ARG 86 Ca -0.00 0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.71 2qao h ARG 86 Cb 0.40 0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.78 2qao h ARG 86 CO 0.01 -0.25 0.05 1.19 0.56 0.00 0.00 179.97 181.52 2qao n PHE 87 N -5.42 1.40 -0.57 3.04 3.72 -1.20 -4.64 117.46 113.80 2qao n PHE 87 Ca -0.02 -0.56 -0.07 0.00 -0.05 0.00 0.00 57.45 56.75 2qao n PHE 87 Cb 0.36 -0.40 -0.09 0.00 -0.94 0.00 0.00 39.48 38.40 2qao n PHE 87 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qao n ALA 88 N 0.30 4.09 0.00 4.37 0.00 0.68 -1.83 120.51 128.12 2qao n ALA 88 Ca 0.20 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.62 2qao n ALA 88 Cb 0.90 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 18.11 2qao n ALA 88 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2qao n SER 89 N 2.65 0.00 -4.72 0.00 3.41 -1.26 -5.05 113.62 108.65 2qao n SER 89 Ca 0.24 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.52 2qao n SER 89 Cb 0.53 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.58 2qao n SER 89 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2qao s ARG 90 N -0.00 1.95 0.08 4.33 6.06 -0.76 -4.92 118.95 125.68 2qao s ARG 90 Ca 0.00 1.65 0.26 0.00 -2.50 0.00 0.00 55.73 55.14 2qao s ARG 90 Cb 0.00 -1.82 0.68 0.00 0.06 0.00 0.00 34.95 33.87 2qao s ARG 90 CO 0.00 -1.96 1.57 0.00 -2.50 0.00 0.00 175.30 172.42 2qao n ALA 91 N -3.09 2.82 0.00 6.12 0.00 -1.26 -4.90 120.51 120.21 2qao n ALA 91 Ca 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2qao n ALA 91 Cb 0.51 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.67 2qao n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qao n GLY 92 N 1.41 0.87 1.91 0.00 0.00 -1.26 -5.01 105.19 103.12 2qao n GLY 92 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 2qao n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qao n GLY 93 N 0.00 1.85 0.00 -0.02 0.00 -1.26 -4.35 105.19 101.41 2qao n GLY 93 Ca 0.00 -0.28 0.03 0.00 0.00 0.00 0.00 46.02 45.77 2qao n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2qao n TYR 94 N 2.11 0.00 -4.56 1.61 4.01 -1.26 -4.51 117.16 114.57 2qao n TYR 94 Ca 0.10 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.59 2qao n TYR 94 Cb 0.39 -0.35 -0.14 0.00 -0.31 0.00 0.00 39.34 38.93 2qao n TYR 94 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2qao s THR 95 N -2.71 1.63 0.46 -0.72 -1.32 -1.26 -0.63 115.64 111.08 2qao s THR 95 Ca 0.05 -1.24 0.06 0.00 -1.21 0.00 0.00 61.69 59.35 2qao s THR 95 Cb 0.04 -1.43 -0.03 0.00 -1.51 0.00 0.00 72.50 69.58 2qao s THR 95 CO 0.10 0.14 0.21 -0.60 -2.21 0.00 0.00 174.62 172.27 2qao s ARG 96 N -1.30 2.23 0.00 7.08 6.06 0.14 -4.77 118.95 128.39 2qao s ARG 96 Ca 0.07 -1.95 0.00 0.00 -2.50 0.00 0.00 55.73 51.34 2qao s ARG 96 Cb -0.09 -1.95 0.00 0.00 0.06 0.00 0.00 34.95 32.97 2qao s ARG 96 CO 0.02 -0.26 0.00 0.44 -2.50 0.00 0.00 175.30 173.00 2qao n ILE 97 N -1.37 0.00 -3.21 4.11 -6.64 -1.26 -2.73 119.36 108.27 2qao n ILE 97 Ca -0.04 0.00 -0.02 0.00 -1.77 0.00 0.00 62.75 60.92 2qao n ILE 97 Cb 0.65 -0.46 0.00 0.00 -1.44 0.00 0.00 39.64 38.39 2qao n ILE 97 CO 0.00 0.00 0.00 0.18 -1.77 0.00 0.00 176.55 174.96 2qao n LEU 98 N -1.97 -3.53 -4.80 7.28 7.99 -1.25 0.31 117.00 121.03 2qao n LEU 98 Ca 0.00 0.37 -0.29 0.00 -0.01 0.00 0.00 56.01 56.08 2qao n LEU 98 Cb 0.35 -1.59 0.12 0.00 -0.11 0.00 0.00 43.42 42.19 2qao n LEU 98 CO 0.00 -1.34 0.72 -0.54 -1.51 0.00 0.00 177.39 174.72 2qao s LYS 99 N -1.10 1.48 0.00 3.23 1.02 -1.26 -1.13 119.74 121.98 2qao s LYS 99 Ca 0.02 0.35 0.00 0.00 0.02 0.00 0.00 55.97 56.37 2qao s LYS 99 Cb -0.00 -1.87 0.00 0.00 -0.52 0.00 0.00 37.83 35.43 2qao s LYS 99 CO 0.06 -1.98 0.00 0.00 -0.92 0.00 0.00 175.35 172.51 2qao n GLY 101 N -0.68 -0.05 1.96 0.00 0.00 0.48 -4.79 105.19 102.11 2qao n GLY 101 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 2qao n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qao n PHE 102 N -0.85 -1.67 -2.75 1.61 3.01 -0.72 -4.35 117.46 111.74 2qao n PHE 102 Ca 0.00 0.84 -0.21 0.00 1.01 0.00 0.00 57.45 59.09 2qao n PHE 102 Cb 0.50 -2.49 0.06 0.00 -0.01 0.00 0.00 39.48 37.54 2qao n PHE 102 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 2qao s ARG 103 N -0.73 2.31 0.00 -1.08 3.52 0.91 -4.79 118.95 119.08 2qao s ARG 103 Ca -0.05 -1.10 0.00 0.00 -0.13 0.00 0.00 55.73 54.46 2qao s ARG 103 Cb 0.00 -2.52 0.00 0.00 -1.56 0.00 0.00 34.95 30.88 2qao s ARG 103 CO 0.31 -0.87 0.20 0.00 -0.81 0.00 0.00 175.30 174.14 2qao n ALA 104 N -2.38 0.00 -0.01 6.12 0.00 -1.26 -4.27 120.51 118.71 2qao n ALA 104 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.55 2qao n ALA 104 Cb 0.60 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.05 2qao n ALA 104 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2qao h GLY 105 N 0.00 -2.42 -5.13 0.00 0.00 -1.99 -3.39 103.07 90.13 2qao h GLY 105 Ca 0.00 1.05 -0.60 0.00 0.00 0.00 0.00 47.33 47.78 2qao h GLY 105 CO 0.00 -0.91 -0.20 0.51 0.00 0.00 0.00 176.54 175.93 2qao s ASP 106 N -2.97 6.77 0.00 0.19 1.47 -1.26 -4.92 116.67 115.95 2qao s ASP 106 Ca -0.00 0.91 0.00 0.00 1.18 0.00 0.00 52.55 54.64 2qao s ASP 106 Cb 0.00 -2.25 0.00 0.00 -0.34 0.00 0.00 42.92 40.33 2qao s ASP 106 CO 0.02 0.27 0.29 -3.20 0.68 0.00 0.00 175.17 173.23 2qao n ASN 107 N 2.17 0.03 -4.63 2.11 4.05 -1.26 -3.20 115.26 114.53 2qao n ASN 107 Ca -0.13 -0.61 -0.47 0.00 0.45 0.00 0.00 54.58 53.82 2qao n ASN 107 Cb 0.52 -0.01 -0.04 0.00 1.23 0.00 0.00 39.78 41.48 2qao n ASN 107 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2qao n ALA 108 N -0.42 0.29 -2.60 5.20 0.00 -1.26 -4.24 120.51 117.47 2qao n ALA 108 Ca 0.00 0.45 -0.43 0.00 0.00 0.00 0.00 53.44 53.46 2qao n ALA 108 Cb 0.01 -2.19 -0.03 0.00 0.00 0.00 0.00 19.45 17.24 2qao n ALA 108 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2qao s PRO 109 N 0.03 3.80 0.90 0.00 0.04 -1.26 -0.06 135.00 138.45 2qao s PRO 109 Ca 0.75 0.61 -0.11 0.00 0.04 0.00 0.00 61.00 62.29 2qao s PRO 109 Cb -0.76 -3.85 0.19 0.00 0.04 0.00 0.00 34.50 30.12 2qao s PRO 109 CO 0.47 -1.14 1.24 -1.64 0.04 0.00 0.00 177.00 175.97 2qao s MET 110 N 3.92 0.81 0.00 4.56 -1.94 -1.26 -1.07 119.30 124.32 2qao s MET 110 Ca 0.43 -0.72 0.00 0.00 -1.71 0.00 0.00 55.69 53.69 2qao s MET 110 Cb -0.10 -1.99 0.00 0.00 2.01 0.00 0.00 34.83 34.75 2qao s MET 110 CO 0.24 -2.21 0.00 0.00 -0.01 0.00 0.00 175.02 173.04 2qao n ALA 111 N -3.52 0.00 -2.87 3.03 0.00 0.31 -0.39 120.51 117.07 2qao n ALA 111 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.49 2qao n ALA 111 Cb 0.60 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.06 2qao n ALA 111 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qao n TYR 112 N 0.00 -2.79 -1.85 0.00 4.01 0.15 -3.90 117.16 112.77 2qao n TYR 112 Ca 0.00 -2.08 -0.42 0.00 -0.16 0.00 0.00 57.90 55.25 2qao n TYR 112 Cb 0.00 1.14 -0.02 0.00 -0.31 0.00 0.00 39.34 40.14 2qao n TYR 112 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 2qao s ILE 113 N 0.37 2.28 -0.11 -0.72 1.10 -0.54 -3.80 121.20 119.78 2qao s ILE 113 Ca 0.32 0.23 -0.21 0.00 -0.51 0.00 0.00 60.65 60.47 2qao s ILE 113 Cb 0.16 -3.15 0.05 0.00 0.15 0.00 0.00 42.46 39.67 2qao s ILE 113 CO -0.18 0.03 0.52 -0.70 -2.11 0.00 0.00 174.94 172.51 2qao s GLU 114 N -0.02 0.77 0.18 3.50 2.12 -1.11 -0.64 118.70 123.51 2qao s GLU 114 Ca 0.65 0.36 -0.31 0.00 0.36 0.00 0.00 54.97 56.03 2qao s GLU 114 Cb -0.46 0.36 -0.10 0.00 0.26 0.00 0.00 34.13 34.20 2qao s GLU 114 CO 0.42 -0.18 1.47 -0.51 -0.54 0.00 0.00 175.26 175.93 2qao s LEU 115 N -0.58 4.38 0.61 2.70 1.43 -0.49 0.26 118.68 126.99 2qao s LEU 115 Ca -0.07 2.56 0.27 0.00 -1.03 0.00 0.00 54.13 55.86 2qao s LEU 115 Cb -0.03 -3.60 1.37 0.00 0.03 0.00 0.00 46.19 43.96 2qao s LEU 115 CO 0.04 -0.73 1.79 1.62 0.23 0.00 0.00 176.35 179.30 2qao h VAL 116 N 3.90 0.21 -2.27 -1.59 3.04 -1.10 -1.97 116.25 116.47 2qao h VAL 116 Ca -0.44 0.00 -0.61 0.00 -1.01 0.00 0.00 66.70 64.64 2qao h VAL 116 Cb 1.21 0.53 -0.41 0.00 -2.01 0.00 0.00 31.29 30.61 2qao h VAL 116 CO 0.85 0.00 -0.49 -0.90 -1.01 0.00 0.00 177.57 176.02 2qao n ASP 117 N -3.39 4.50 -0.10 3.17 3.85 -1.26 -4.77 116.55 118.55 2qao n ASP 117 Ca 0.07 -3.61 -0.14 0.00 -0.71 0.00 0.00 54.79 50.40 2qao n ASP 117 Cb 0.71 -0.65 -0.10 0.00 -1.35 0.00 0.00 41.12 39.74 2qao n ASP 117 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.20 175.05 2qao n ARG 118 N 0.13 0.59 -1.55 0.11 0.00 -0.74 -4.86 116.66 110.34 2qao n ARG 118 Ca 0.31 0.11 -0.19 0.00 -0.00 0.00 0.00 57.85 58.09 2qao n ARG 118 Cb 0.39 -1.42 -0.09 0.00 0.00 0.00 0.00 32.46 31.34 2qao n ARG 118 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2qao n SER 119 N -3.08 1.45 0.00 6.15 7.64 -1.26 -5.10 113.62 119.42 2qao n SER 119 Ca -0.36 -1.17 0.00 0.00 1.01 0.00 0.00 58.87 58.35 2qao n SER 119 Cb 0.91 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 2qao n SER 119 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24